3D structures mapped by conservation among orthologs

[ Domain: "Gamma-glutamyltranspeptidase-like" // G_glu_transpept ]

 PyMOL session

 [ Alpha Fold Model ] (go)

 Known binders annotated in ChEMBL

 IC50 CSV    Ki CSV

Only the first 20 rows are shown.

molecule_chembl_id	structure	assay_type	relation	value	unit	mol_wt	smiles	organism	assay_chembl_id	bao_label
CHEMBL5286162		IC50	=	39.0	nM	303.45	CO[C@@H](C)CN1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C	Homo sapiens	CHEMBL5264074	single protein format
CHEMBL3039733		IC50	=	322.0	nM	379.54	C[C@@H](CN1CC[C@@]2(C)c3cccc(O)c3C[C@@H]1C2(C)C)OCc1ccccc1	Homo sapiens	CHEMBL5264074	single protein format
CHEMBL5220943		Ki	=	25.0	nM	183.4	Cl.N[C@@H](CCB(O)O)C(=O)O	Homo sapiens	CHEMBL5217445	assay format
CHEMBL87796		Ki	=	25.0	nM	146.94	N[C@@H](CCB(O)O)C(=O)O	Homo sapiens	CHEMBL5365913	single protein format
CHEMBL5219012		Ki	=	77.0	nM	183.4	Cl.N[C@H](CCB(O)O)C(=O)O	Homo sapiens	CHEMBL5217445	assay format
CHEMBL5400857		Ki	=	920.0	nM	160.97	CC(N)(CCB(O)O)C(=O)O	Homo sapiens	CHEMBL5365915	single protein format